diethyl 2-(1-phenyl-2-thiocyanato-ethylidene)propanedioate

Systemtic Name: diethyl 2-(1-phenyl-2-thiocyanato-ethylidene)propanedioate Openeye Name: diethyl 2-(1-phenyl-2-thiocyanato-ethylidene)propanedioate CAS Name: 2-(1-phenyl-2-thiocyanatoethylidene)propanedioic acid diethyl ester IUPAC Name: diethyl 2-(1-phenyl-2-thiocyanatoethylidene)propanedioate Traditional Name: 2-(1-phenyl-2-thiocyanato-ethylidene)malonic acid diethyl ester Formula: C16H17NO4S MolecularWeight: 319.37548

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C(CSC#N)C1=CC=CC=C1)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(=C(CSC#N)C1=CC=CC=C1)C(=O)OCC

InChI

InChI=1S/C16H17NO4S/c1-3-20-15(18)14(16(19)21-4-2)13(10-22-11-17)12-8-6-5-7-9-12/h5-9H,3-4,10H2,1-2H3